3,5,6,7,8,3',4'-Heptamethoxyflavone

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  • Identifiers

    CAS number
    1178-24-1

    Molecular formula
    C22H24O9

    SMILES
    COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC)OC

    Safety labels

  • Odor profile

    Fragrance
    Spicy 51.22%
    Phenolic 48.17%
    Vanilla 42.85%
    Woody 41.68%
    Fruity 39.42%
    Floral 38.36%
    Smoky 36.4%
    Balsamic 35.3%
    Burnt 34.53%
    Powdery 31.63%

     

    Flavor
    Bitter 76.31%
    Bland 24.81%
    Parsley 23.13%
    Eugenol 22.23%
    Cedarleaf 20.05%
    Carrot 19.92%
    Sweet-like 19.91%
    Ripe apricot 19.27%
    Green pepper 19.19%
    Lovage 19.16%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    6.81 (neutral)

    Molecular weight
    432.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    807°C

    Melting point expt.

    • 129 - 131 °C

    Flash point

    • 205.45 ˚C est.

  • Synonyms

    • 1178-24-1
    • 3,3',4',5,6,7,8-Heptamethoxyflavone
    • 3,5,6,7,8,3',4'-Heptamethoxyflavone
    • 3-Hptmf
    • Hepta-3
    • 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3,5,6,7,8-pentamethoxy-
    • 2-(3,4-dimethoxyphenyl)-3,5,6,7,8-pentamethoxychromen-4-one
    • 288R4CAV1V
    • DTXSID70151912
    • RefChem:25883
    • DTXCID2074403
    • 3-Methoxynobiletin
    • 2-(3,4-Dimethoxyphenyl)-3,5,6,7,8-pentamethoxy-4H-chromen-4-one
    • 3,5,6,7,8,3',4'-heptemthoxyflavone
    • C22H24O9
    • MFCD00210513
    • 3',4',3,5,6,7,8-heptamethoxyflavone
    • CHEMBL77993
    • 2-(3,4-Dimethoxyphenyl)-3,5,6,7,8-pentamethoxy-4H-1-benzopyran-4-one
    • NSC-618928
    • Flavone, 3,3',4',5,6,7,8-heptamethoxy-
    • 3,?5,?6,?7,?8,?3',?4'-?Heptemthoxyflavone
    • UNII-288R4CAV1V
    • CCRIS 8454
    • NSC618928
    • orb1297561
    • SCHEMBL1764676
    • SCHEMBL29467229
    • SCHEMBL31621487
    • HY-N2038R
    • CHEBI:176100
    • HY-N2038
    • MSK15171
    • BDBM50064900
    • LMPK12113345
    • AKOS016010685
    • EBC-617220
    • 3,5,6,7,8,3 inverted exclamation mark ,4 inverted exclamation mark -HEPTEMTHOXYFLAVONE
    • AC-34643
    • AS-72641
    • DA-60197
    • FH137762
    • NCI60_005664
    • PD125602
    • 3,5,6,7,8,3',4'-heptemethoxyflavone
    • 3,5,6,7,8,3',4'-heptemthoxyflavone?
    • 3',4',3,5,6,7,8-hepta-methoxyflavone
    • 3,5,6,7,8,3'',4''-heptamethoxyflavone
    • 5.3,5,6,7,8,3',4'-Heptamethoxyflavone
    • CS-0018528
    • 3,5,6,7,8,3',4'-HEPTAMETHPHOXYFLAVONE
    • Q27254290
    • 3,?5,?6,?7,?8,?3',?4'-?Heptemthoxyflavone (Standard)
    • 2-(3,4-Dimethoxy-phenyl)-3,5,6,7,8-pentamethoxy-chromen-4-one
    • 2-(3,4-dimethoxyphenyl)-3,5,6,7,8-pentamethoxy-chromen-4-one
    • 3,3',4',5,6,7,8-Heptamethoxyflavone; 2-(3,4-dimethoxyphenyl)-3,5,6,7,8-pentamethoxy-4H-chromen-4-one
    • 3,3',4',5,6,7,8-heptamethoxyflavone3,5,6,7,8,3',4'-Heptamethoxyflavone; 2-(3,4-Dimethoxyphenyl)-3,5,6,7,8-pentamethoxy-4H-chromen-4-one; 3-Hptmf
    • 1178-24-1

  • Applications

    3,5,6,7,8,3',4'-Heptamethoxyflavone (CAS 1178-24-1) is a highly methoxylated flavone that is mainly used as a synthetic intermediate in flavonoid chemistry. In industrial and pharmaceutical R&D, it serves as a precursor for the preparation of more complex flavonoid derivatives and related fine chemicals. It is also used as an analytical reference standard or reagent for method development and quantification of polymethoxyflavones in research samples. In materials and formulation research, it is evaluated as a building block for flavonoid-based derivatives with potential applications in polymers and coatings, and in cosmetic/pharmaceutical formulation research where it may contribute to antioxidant and UV-related studies in formulations. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.57
    methanol 0.52
    isopropanol 0.53
    water 0.01
    ethyl acetate 8.72
    n-propanol 0.78
    acetone 4.2
    n-butanol 0.68
    acetonitrile 3.82
    DMF 10.58
    toluene 1.23
    isobutanol 0.7
    1,4-dioxane 5.31
    methyl acetate 8.86
    THF 9.91
    2-butanone 5.53
    n-pentanol 0.73
    sec-butanol 0.8
    n-hexane 0.2
    ethylene glycol 0.61
    NMP 36.71
    cyclohexane 0.43
    DMSO 10.91
    n-butyl acetate 5.05
    n-octanol 0.69
    chloroform 25.32
    n-propyl acetate 4.11
    acetic acid 7.43
    dichloromethane 31.87
    cyclohexanone 10.69
    propylene glycol 0.33
    isopropyl acetate 4.33
    DMAc 20.11
    2-ethoxyethanol 2.76
    isopentanol 0.81
    n-heptane 0.3
    ethyl formate 4.51
    1,2-dichloroethane 16.7
    n-hexanol 0.93
    2-methoxyethanol 3.2
    isobutyl acetate 2.13
    tetrachloromethane 4.57
    n-pentyl acetate 3.61
    transcutol 5.53
    n-heptanol 0.84
    ethylbenzene 1.0
    MIBK 2.34
    2-propoxyethanol 4.13
    tert-butanol 0.85
    MTBE 1.44
    2-butoxyethanol 2.86
    propionic acid 4.45
    o-xylene 1.63
    formic acid 3.7
    diethyl ether 1.98
    m-xylene 1.0
    p-xylene 1.48
    chlorobenzene 4.12
    dimethyl carbonate 9.51
    n-octane 0.15
    formamide 6.73
    cyclopentanone 16.57
    2-pentanone 3.89
    anisole 2.08
    cyclopentyl methyl ether 4.28
    gamma-butyrolactone 29.61
    1-methoxy-2-propanol 2.27
    pyridine 8.71
    3-pentanone 5.94
    furfural 24.43
    n-dodecane 0.12
    diethylene glycol 3.84
    diisopropyl ether 0.76
    tert-amyl alcohol 1.17
    acetylacetone 9.83
    n-hexadecane 0.14
    acetophenone 4.98
    methyl propionate 9.53
    isopentyl acetate 4.38
    trichloroethylene 43.81
    n-nonanol 0.8
    cyclohexanol 1.63
    benzyl alcohol 2.13
    2-ethylhexanol 1.16
    isooctanol 0.83
    dipropyl ether 1.79
    1,2-dichlorobenzene 7.08
    ethyl lactate 2.78
    propylene carbonate 14.13
    n-methylformamide 5.53
    2-pentanol 0.66
    n-pentane 0.18
    1-propoxy-2-propanol 2.88
    1-methoxy-2-propyl acetate 7.9
    2-(2-methoxypropoxy) propanol 3.83
    mesitylene 0.73
    ε-caprolactone 12.19
    p-cymene 1.47
    epichlorohydrin 25.23
    1,1,1-trichloroethane 12.86
    2-aminoethanol 0.7
    morpholine-4-carbaldehyde 18.46
    sulfolane 38.49
    2,2,4-trimethylpentane 0.2
    2-methyltetrahydrofuran 6.62
    n-hexyl acetate 3.25
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 3.33
    sec-butyl acetate 2.79
    tert-butyl acetate 4.36
    decalin 0.35
    glycerin 1.36
    diglyme 10.0
    acrylic acid 7.17
    isopropyl myristate 1.36
    n-butyric acid 4.23
    acetyl acetate 10.85
    di(2-ethylhexyl) phthalate 2.11
    ethyl propionate 5.2
    nitromethane 25.95
    1,2-diethoxyethane 3.18
    benzonitrile 3.55
    trioctyl phosphate 1.43
    1-bromopropane 4.07
    gamma-valerolactone 20.51
    n-decanol 0.6
    triethyl phosphate 4.93
    4-methyl-2-pentanol 0.54
    propionitrile 2.89
    vinylene carbonate 13.98
    1,1,2-trichlorotrifluoroethane 26.91
    DMS 9.71
    cumene 0.89
    2-octanol 0.6
    2-hexanone 2.88
    octyl acetate 1.83
    limonene 1.92
    1,2-dimethoxyethane 6.14
    ethyl orthosilicate 3.82
    tributyl phosphate 2.07
    diacetone alcohol 4.24
    N,N-dimethylaniline 2.22
    acrylonitrile 5.83
    aniline 2.34
    1,3-propanediol 1.06
    bromobenzene 4.38
    dibromomethane 13.78
    1,1,2,2-tetrachloroethane 27.01
    2-methyl-cyclohexyl acetate 4.62
    tetrabutyl urea 3.01
    diisobutyl methanol 0.86
    2-phenylethanol 2.94
    styrene 1.02
    dioctyl adipate 2.98
    dimethyl sulfate 25.58
    ethyl butyrate 4.59
    methyl lactate 4.87
    butyl lactate 2.81
    diethyl carbonate 4.73
    propanediol butyl ether 1.41
    triethyl orthoformate 4.08
    p-tert-butyltoluene 1.26
    methyl 4-tert-butylbenzoate 5.99
    morpholine 5.95
    tert-butylamine 0.53
    n-dodecanol 0.47
    dimethoxymethane 6.65
    ethylene carbonate 9.89
    cyrene 7.59
    2-ethoxyethyl acetate 6.81
    2-ethylhexyl acetate 4.24
    1,2,4-trichlorobenzene 9.58
    4-methylpyridine 5.96
    dibutyl ether 1.2
    2,6-dimethyl-4-heptanol 0.86
    DEF 9.24
    dimethyl isosorbide 11.67
    tetrachloroethylene 21.46
    eugenol 4.7
    triacetin 6.96
    span 80 2.58
    1,4-butanediol 0.6
    1,1-dichloroethane 7.47
    2-methyl-1-pentanol 0.97
    methyl formate 6.53
    2-methyl-1-butanol 0.93
    n-decane 0.19
    butyronitrile 2.0
    3,7-dimethyl-1-octanol 0.8
    1-chlorooctane 0.84
    1-chlorotetradecane 0.39
    n-nonane 0.16
    undecane 0.15
    tert-butylcyclohexane 0.22
    cyclooctane 0.2
    cyclopentanol 2.31
    tetrahydropyran 3.42
    tert-amyl methyl ether 1.94
    2,5,8-trioxanonane 6.89
    1-hexene 0.55
    2-isopropoxyethanol 2.18
    2,2,2-trifluoroethanol 9.02
    methyl butyrate 5.54

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction